2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole

C120H112ClN23O2 — CID 157265186

IUPAC2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccccc2nc1CCC1=Nc2ccccc2C1.Cn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCC3.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCO3.Cn1cc(C2CCCCC2)nc1CCc1cnc2ccccc2n1.c1ccc2nc(CCc3nc4ccccc4o3)cnc2c1
InChIInChI=1S/C22H22N4.C21H16ClN5.C21H20N4O.C20H24N4.C19H17N3.C17H13N3O/c1-26-20-12-10-15-6-2-3-7-17(15)22(20)25-21(26)13-11-16-14-23-18-8-4-5-9-19(18)24-16;1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13;1-25-18-10-8-14-5-4-12-26-21(14)20(18)24-19(25)11-9-15-13-22-16-6-2-3-7-17(16)23-15;1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16;1-13-16(22-19-9-5-4-8-18(19)20-13)11-10-15-12-14-6-2-3-7-17(14)21-15;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h4-5,8-10,12,14H,2-3,6-7,11,13H2,1H3;2-6,8-9,11-12H,7,10H2,1H3;2-3,6-8,10,13H,4-5,9,11-12H2,1H3;5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3;2-9H,10-12H2,1H3;1-8,11H,9-10H2
InChIKeyAXXKFKHBWVVUFD-UHFFFAOYSA-N
MW1943.83 g/mol
LogP24.26
Rot. Bonds19

About 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole

2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole (PubChem CID 157265186) has the molecular formula C120H112ClN23O2 and a molecular weight of 1943.83 g/mol. Its IUPAC name is 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole
PubChem CID157265186
Molecular FormulaC120H112ClN23O2
Molecular Weight1943.83 g/mol
Exact Mass1941.91
IUPAC Name2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccccc2nc1CCC1=Nc2ccccc2C1.Cn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCC3.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCO3.Cn1cc(C2CCCCC2)nc1CCc1cnc2ccccc2n1.c1ccc2nc(CCc3nc4ccccc4o3)cnc2c1
InChIInChI=1S/C22H22N4.C21H16ClN5.C21H20N4O.C20H24N4.C19H17N3.C17H13N3O/c1-26-20-12-10-15-6-2-3-7-17(15)22(20)25-21(26)13-11-16-14-23-18-8-4-5-9-19(18)24-16;1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13;1-25-18-10-8-14-5-4-12-26-21(14)20(18)24-19(25)11-9-15-13-22-16-6-2-3-7-17(16)23-15;1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16;1-13-16(22-19-9-5-4-8-18(19)20-13)11-10-15-12-14-6-2-3-7-17(14)21-15;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h4-5,8-10,12,14H,2-3,6-7,11,13H2,1H3;2-6,8-9,11-12H,7,10H2,1H3;2-3,6-8,10,13H,4-5,9,11-12H2,1H3;5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3;2-9H,10-12H2,1H3;1-8,11H,9-10H2
InChIKeyAXXKFKHBWVVUFD-UHFFFAOYSA-N
XLogP24.26
TPSA286.47 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.83
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole with MolForge

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Related Compounds

6-[4-[9-(1,2-Diphenylbenzimidazol-5-yl)-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-18-yl]phenyl]-9-[4-(1,10-phenanthrolin-2-yl)phenyl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232989
2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 139533377
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 139545104
2-[4-(2,6-Diphenylpyrimidin-4-yl)-2,3,6-tris(pyrido[3,2-b]indol-5-yl)-5-pyrido[3,4-b]indol-9-ylphenyl]-1,3-benzoxazole
CID 139545402
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 139545568
2-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,4,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 150334189
2-[2-(4,6-Diphenylpyrimidin-2-yl)-3,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 151314767
2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3,4,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 151563103
2-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 151660210
2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 151693049
2-[4-(2,6-Diphenylpyrimidin-4-yl)-2,3,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 152174147
2-[6-(1,3-Benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
CID 155366793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole?
The IUPAC name of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole (CID 157265186) is 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole is Cc1nc2ccccc2nc1CCC1=Nc2ccccc2C1.Cn1c(CCc2cnc3cccc(Cl)c3n2)nc2c3cccnc3ccc21.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCC3.Cn1c(CCc2cnc3ccccc3n2)nc2c3c(ccc21)CCCO3.Cn1cc(C2CCCCC2)nc1CCc1cnc2ccccc2n1.c1ccc2nc(CCc3nc4ccccc4o3)cnc2c1.
What is the InChIKey of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole?
The InChIKey is AXXKFKHBWVVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4.C21H16ClN5.C21H20N4O.C20H24N4.C19H17N3.C17H13N3O/c1-26-20-12-10-15-6-2-3-7-17(15)22(20)25-21(26)13-11-16-14-23-18-8-4-5-9-19(18)24-16;1-27-18-9-8-16-14(4-3-11-23-16)20(18)26-19(27)10-7-13-12-24-17-6-2-5-15(22)21(17)25-13;1-25-18-10-8-14-5-4-12-26-21(14)20(18)24-19(25)11-9-15-13-22-16-6-2-3-7-17(16)23-15;1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16;1-13-16(22-19-9-5-4-8-18(19)20-13)11-10-15-12-14-6-2-3-7-17(14)21-15;1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h4-5,8-10,12,14H,2-3,6-7,11,13H2,1H3;2-6,8-9,11-12H,7,10H2,1H3;2-3,6-8,10,13H,4-5,9,11-12H2,1H3;5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3;2-9H,10-12H2,1H3;1-8,11H,9-10H2.
What are the key properties of 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole?
2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole has a molecular weight of 1943.83 g/mol, XLogP of 24.26, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-chloroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;2-[2-(4-cyclohexyl-1-methylimidazol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]-3-methylquinoxaline;3-methyl-2-(2-quinoxalin-2-ylethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-(2-quinoxalin-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]benzimidazole;2-(2-quinoxalin-2-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 157265186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).